CID 146050097

2413896-37-2

Structural Information

Molecular Formula
C8H15NO
SMILES
CC12CCOC(C1)(C2)CN
InChI
InChI=1S/C8H15NO/c1-7-2-3-10-8(4-7,5-7)6-9/h2-6,9H2,1H3
InChIKey
KONQFMNFJCTDCY-UHFFFAOYSA-N
Compound name
(5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 139.2
[M+Na]+ 164.10459 144.4
[M-H]- 140.10809 138.9
[M+NH4]+ 159.14919 160.4
[M+K]+ 180.07853 146.9
[M+H-H2O]+ 124.11263 131.1
[M+HCOO]- 186.11357 152.7
[M+CH3COO]- 200.12922 150.7
[M+Na-2H]- 162.09004 151.8
[M]+ 141.11482 149.1
[M]- 141.11592 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.